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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:45 UTC
Update Date2025-03-25 00:51:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184724
Frequency0.5
Structure
Chemical FormulaC26H36Cl2N10O4
Molecular Mass622.2298
SMILESN=C(NCCCCCNC(=N)NC(=NC1OC(CO)C(O)C1O)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
InChI KeyWLBVOGGBJFWVTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • carboximidamides
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • monosaccharides
  • organochlorides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • imine
  • organochloride
  • monosaccharide
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • saccharide
  • organopnictogen compound
  • 1-arylbiguanide
  • primary alcohol
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • alcohol
  • tetrahydrofuran
  • organic 1,3-dipolar compound
  • carboximidamide
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound